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ls1-MarDyn
ls1-MarDyn molecular dynamics code
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This is the complete list of members for MoleculeRMM, including all inherited members.
| buildOwnSoA() override | MoleculeRMM | inlinevirtual |
| calcFM() override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| calculate_mv2_Iw2(double &summv2, double &) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| calculate_mv2_Iw2(double &summv2, double &, double offx, double offy, double offz) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| charge_d(unsigned int) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| charge_d_abs(unsigned int) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| charge_F(unsigned int) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| check(unsigned long) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| clearFM() override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| component() const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| componentid() const (defined in MoleculeInterface) | MoleculeInterface | inline |
| computeCharge_d(unsigned int) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| computeDipole_d(unsigned int) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| computeDipole_e(unsigned int) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| computeLJcenter_d(unsigned int) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| computeQuadrupole_d(unsigned int) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| computeQuadrupole_e(unsigned int) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| convert_double_to_vcp_real_calc(const std::array< double, 3 > &v) (defined in MoleculeInterface) | MoleculeInterface | inlinestatic |
| D(unsigned short) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| D_arr() const (defined in MoleculeInterface) | MoleculeInterface | inline |
| dipole_d(unsigned int) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| dipole_d_abs(unsigned int) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| dipole_e(unsigned int) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| dipole_F(unsigned int) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| dist2(const MoleculeInterface &molecule2, double dr[3]) const (defined in MoleculeInterface) | MoleculeInterface | inline |
| ee_upd_postF(double dt, double &summv2) (defined in MoleculeInterface) | MoleculeInterface | inline |
| ee_upd_preF(double dt) (defined in MoleculeInterface) | MoleculeInterface | inline |
| F(unsigned short) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| F2() const (defined in MoleculeInterface) | MoleculeInterface | inlinevirtual |
| F_arr() (defined in MoleculeInterface) | MoleculeInterface | inlinevirtual |
| Fadd(const double[]) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| Fchargeadd(unsigned int, double[]) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| Fchargesub(unsigned int, double[]) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| Fdipoleadd(unsigned int, double[]) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| Fdipolesub(unsigned int, double[]) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| Fljcenteradd(unsigned int, double[]) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| Fljcentersub(unsigned int, double[]) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| Fquadrupoleadd(unsigned int, double[]) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| Fquadrupolesub(unsigned int, double[]) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| getComponentLookUpID() const (defined in MoleculeInterface) | MoleculeInterface | inlinevirtual |
| getI(unsigned short) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| getID() const override (defined in MoleculeRMM) | MoleculeRMM | virtual |
| getStaticRMMComponent() (defined in MoleculeRMM) | MoleculeRMM | inlinestatic |
| getStorageState() const (defined in MoleculeRMM) | MoleculeRMM | inline |
| getWriteFormat() (defined in MoleculeRMM) | MoleculeRMM | static |
| inBox(const double l[3], const double u[3]) const | MoleculeInterface | inlinevirtual |
| isLessThan(const MoleculeInterface &m2) const | MoleculeInterface | |
| L2() const (defined in MoleculeInterface) | MoleculeInterface | inlinevirtual |
| ljcenter_d(unsigned int i) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| ljcenter_d_abs(unsigned int i) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| ljcenter_F(unsigned int) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| M(unsigned short) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| M2() const (defined in MoleculeInterface) | MoleculeInterface | inlinevirtual |
| M_arr() (defined in MoleculeInterface) | MoleculeInterface | inlinevirtual |
| Madd(const double[]) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| mass() const (defined in MoleculeInterface) | MoleculeInterface | inlinevirtual |
| MoleculeRMM(unsigned long id=0, Component *component=nullptr, double rx=0., double ry=0., double rz=0., double vx=0., double vy=0., double vz=0., double=0., double=0., double=0., double=0., double=0., double=0., double=0.) (defined in MoleculeRMM) | MoleculeRMM | inline |
| MoleculeRMM(const MoleculeRMM &other) (defined in MoleculeRMM) | MoleculeRMM | inline |
| MoleculeRMM(CellDataSoARMM *soa, size_t index) (defined in MoleculeRMM) | MoleculeRMM | inline |
| move(int d, double dr) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| normalizeQuaternion() override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| numCharges() const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| numDipoles() const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| numLJcenters() const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| numOrientedSites() const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| numQuadrupoles() const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| numSites() const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| orientationAngle(const MoleculeInterface &molecule2, double dr[3], double d2) const (defined in MoleculeInterface) | MoleculeInterface | inline |
| q() const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| quadrupole_d(unsigned int) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| quadrupole_d_abs(unsigned int) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| quadrupole_e(unsigned int) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| quadrupole_F(unsigned int) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| r(unsigned short d) const override (defined in MoleculeRMM) | MoleculeRMM | virtual |
| r_arr() const (defined in MoleculeInterface) | MoleculeInterface | inline |
| releaseOwnSoA() override | MoleculeRMM | inlinevirtual |
| scale_D(double s) (defined in MoleculeInterface) | MoleculeInterface | inline |
| scale_F(double s) (defined in MoleculeInterface) | MoleculeInterface | inline |
| scale_M(double s) (defined in MoleculeInterface) | MoleculeInterface | inline |
| scale_v(double s) (defined in MoleculeInterface) | MoleculeInterface | inline |
| scale_v(double s, double offx, double offy, double offz) (defined in MoleculeInterface) | MoleculeInterface | inline |
| setComponent(Component *component) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| setD(unsigned short, double) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| setF(unsigned short, double F) override (defined in MoleculeRMM) | MoleculeRMM | virtual |
| setF(double[3]) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| setid(unsigned long id) override (defined in MoleculeRMM) | MoleculeRMM | virtual |
| setM(double[3]) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| setq(Quaternion q) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| setr(unsigned short d, double r) override (defined in MoleculeRMM) | MoleculeRMM | virtual |
| setSoA(CellDataSoABase *s) override (defined in MoleculeRMM) | MoleculeRMM | virtual |
| setStartIndexSoA_C(unsigned) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| setStartIndexSoA_D(unsigned) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| setStartIndexSoA_LJ(unsigned i) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| setStartIndexSoA_Q(unsigned) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| setStorageState(StorageState s) (defined in MoleculeRMM) | MoleculeRMM | inline |
| setupSoACache(CellDataSoABase *const s, unsigned iLJ, unsigned, unsigned, unsigned) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| setv(unsigned short d, double v) override (defined in MoleculeRMM) | MoleculeRMM | virtual |
| setVi(double[3]) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| site_d(unsigned int) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| site_d_abs(unsigned int i) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| site_F(unsigned int) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| STORAGE_AOS enum value (defined in MoleculeRMM) | MoleculeRMM | |
| STORAGE_SOA enum value (defined in MoleculeRMM) | MoleculeRMM | |
| StorageState enum name (defined in MoleculeRMM) | MoleculeRMM | |
| totalMemsize() const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| U_kin() (defined in MoleculeInterface) | MoleculeInterface | inlinevirtual |
| U_rot() override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| U_rot_2() override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| U_trans() const (defined in MoleculeInterface) | MoleculeInterface | inlinevirtual |
| U_trans_2() const (defined in MoleculeInterface) | MoleculeInterface | inlinevirtual |
| upd_postF(double, double &, double &) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| upd_preF(double) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| updateMassInertia() override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| v(unsigned short d) const override (defined in MoleculeRMM) | MoleculeRMM | virtual |
| v2() const (defined in MoleculeInterface) | MoleculeInterface | inlinevirtual |
| v_arr() const (defined in MoleculeInterface) | MoleculeInterface | inline |
| vadd(const double ax, const double ay, const double az) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| Vi(unsigned short) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| Vi_arr() (defined in MoleculeInterface) | MoleculeInterface | inlinevirtual |
| Viadd(const double[]) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| vsub(const double ax, const double ay, const double az) override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| write(std::ostream &) const override (defined in MoleculeRMM) | MoleculeRMM | virtual |
| writeBinary(std::ostream &) const override (defined in MoleculeRMM) | MoleculeRMM | inlinevirtual |
| ~MoleculeInterface() (defined in MoleculeInterface) | MoleculeInterface | inlinevirtual |
| ~MoleculeRMM() override=default (defined in MoleculeRMM) | MoleculeRMM |
1.9.2